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DOE OSTI2020

Materials Data on MoRh by Materials Project

MoRh is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mo is bonded to four equivalent Mo and eight equivalent Rh atoms to form MoMo4Rh8 cuboctahedra that share corners with eight equivalent RhMo8Rh4 cuboctahedra, corners with ten equivalent MoMo4Rh8 cuboctahedra, edges with six equivalent MoMo4Rh8 cuboctahedra, edges with twelve equivalent RhMo8Rh4 cuboctahedra, faces with eight equivalent RhMo8Rh4 cuboctahedra, and faces with twelve equivalent MoMo4Rh8 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.77 Å) Mo–Mo bond lengths. There are a spread of Mo–Rh bond distances ranging from 2.72–2.80 Å. Rh is bonded to eight equivalent Mo and four equivalent Rh atoms to form RhMo8Rh4 cuboctahedra that share corners with eight equivalent MoMo4Rh8 cuboctahedra, corners with ten equivalent RhMo8Rh4 cuboctahedra, edges with six equivalent RhMo8Rh4 cuboctahedra, edges with twelve equivalent MoMo4Rh8 cuboctahedra, faces with eight equivalent MoMo4Rh8 cuboctahedra, and faces with twelve equivalent RhMo8Rh4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.79 Å) Rh–Rh bond lengths.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on MoRh3 by Materials Project

MoRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Rh atoms to form MoRh12 cuboctahedra that share corners with six equivalent MoRh12 cuboctahedra, corners with twelve equivalent RhMo4Rh8 cuboctahedra, edges with eighteen equivalent RhMo4Rh8 cuboctahedra, faces with eight equivalent MoRh12 cuboctahedra, and faces with twelve equivalent RhMo4Rh8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Mo–Rh bond lengths. Rh is bonded to four equivalent Mo and eight equivalent Rh atoms to form RhMo4Rh8 cuboctahedra that share corners with four equivalent MoRh12 cuboctahedra, corners with fourteen equivalent RhMo4Rh8 cuboctahedra, edges with six equivalent MoRh12 cuboctahedra, edges with twelve equivalent RhMo4Rh8 cuboctahedra, faces with four equivalent MoRh12 cuboctahedra, and faces with sixteen equivalent RhMo4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.71–2.77 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on MoRh by Materials Project

MoRh crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Rh atoms to form MoMo6Rh6 cuboctahedra that share corners with eighteen equivalent MoMo6Rh6 cuboctahedra, edges with six equivalent MoMo6Rh6 cuboctahedra, edges with twelve equivalent RhMo6Rh6 cuboctahedra, faces with eight equivalent MoMo6Rh6 cuboctahedra, and faces with twelve equivalent RhMo6Rh6 cuboctahedra. All Mo–Mo bond lengths are 2.80 Å. All Mo–Rh bond lengths are 2.74 Å. Rh is bonded to six equivalent Mo and six equivalent Rh atoms to form RhMo6Rh6 cuboctahedra that share corners with eighteen equivalent RhMo6Rh6 cuboctahedra, edges with six equivalent RhMo6Rh6 cuboctahedra, edges with twelve equivalent MoMo6Rh6 cuboctahedra, faces with eight equivalent RhMo6Rh6 cuboctahedra, and faces with twelve equivalent MoMo6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.80 Å.

36 MATERIALS SCIENCE↗